(phenylmethyl) 4-[(quinolin-3-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(quinolin-3-ylamino)methyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[(3-quinolylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[(3-quinolinylamino)methyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(quinolin-3-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(3-quinolylamino)methyl]piperidine-1-carboxylic acid benzyl ester Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=CC3=CC=CC=C3N=C2)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CNC2=CC3=CC=CC=C3N=C2)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c27-23(28-17-19-6-2-1-3-7-19)26-12-10-18(11-13-26)15-24-21-14-20-8-4-5-9-22(20)25-16-21/h1-9,14,16,18,24H,10-13,15,17H2